Structure of PDB 7cba Chain B Binding Site BS03

Receptor Information
>7cba Chain B (length=768) Species: 8656 (Naja atra) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DICVLPTQSWSCNKLRCGEKRMANVLCSCSEDCLTKKDCCTDYKSICKRE
TSWLKDQCAQCPEGFDQSPLILFSMDGFRAEYLETWDTLMPNINKLKTCG
THAKYMRAVYPTKTFVNHYTIVTGLYAETHGIIDNNMYDVKLNQNFSLSG
SNMRNAAWWGGQPIWHTASYQGLKAATYFWPGSEVKINGSYPTIYKVYNK
STPFEARVMEVLKWLDLPKAKRPDFSTLYIEEPDTTGHKFGPVSGQVIKS
LQMADRTLGMLMEGLKQRNLHNCVNLILLADHGMEAISCNRLEYMTDYFN
TVDFFMYEGAAPRIRSKNVPKDFYTFDSEAIVKKLTCRKPKQHFKAYLAK
DLPKRLHFANNIRIDKVNLMVDRQWLAVRNKKYKYCSGGTHGYDNEFKSM
EAIFLAHGPGFKEKTEVTSFENIEVYNLMCDLLKLKPAPNNGTHGSLNHL
LKNPFYNPSPAKEQSPPLYCLFGPVPSPDVSGCKCSSITDLEAVNQRLNL
IDQAKMQSEADNLPYGRPHVLQHSKYCLLHQTKYISAYSQDILMPLWNSY
TISKSDCLRLDVRIPTVQSQTCSNYQPDLAITPGFLYPPDFSSSGPEQYD
ALITSNIVPMYKEFARLWNYFHSTLLPKYATERNGLNVISGPIFDYNYDG
HFDPYDTIDQYVNNTKIPIPTHYFVVLTSCENSTKTPLNCPPGSLKVLSF
ILPHRPDNSESCADKSPDNLWVEERMQTHTARVRDVELLTGLDFYSALKQ
PLSETLRLKTFLPIFINS
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7cba Chain B Residue 906 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cba Crystal structure of snake venom phosphodiesterase (PDE) from Taiwan cobra (Naja atra atra) in complex with isorhamnetin and citrate
Resolution2.901 Å
Binding residue
(original residue number in PDB)		D728 N730 D732 H734 F735 D736
Binding residue
(residue number reindexed from 1)		D645 N647 D649 H651 F652 D653
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.-
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0016787 hydrolase activity
GO:0043262 ADP phosphatase activity
GO:0046872 metal ion binding
GO:0047429 nucleoside triphosphate diphosphatase activity
GO:0090729 toxin activity
Biological Process
GO:0009143 nucleoside triphosphate catabolic process
GO:0035821 modulation of process of another organism
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7cba, PDBe:7cba, PDBj:7cba
PDBsum7cba
PubMed
UniProtA0A2D0TC04|PDE_NAJAT Venom phosphodiesterase

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